5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide

C17H28N4O2 — CID 70729547

IUPAC5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
SMILESCC(C)CCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-13(2)5-4-6-16(22)18-10-14-7-8-21(12-14)15-9-17(23)20(3)19-11-15/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,22)
InChIKeyPQMJNZYCGMTGDS-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.55
Rot. Bonds7

About 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide

5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide (PubChem CID 70729547) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
PubChem CID70729547
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
SMILESCC(C)CCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-13(2)5-4-6-16(22)18-10-14-7-8-21(12-14)15-9-17(23)20(3)19-11-15/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,22)
InChIKeyPQMJNZYCGMTGDS-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-(3-methylbutyl)-1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203753
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203822
4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53203845
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53203874
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203876
N-(1-ethylpropyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203884
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203914

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The IUPAC name of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide (CID 70729547) is 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide.
What is the SMILES notation for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The canonical SMILES for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide is CC(C)CCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The InChIKey is PQMJNZYCGMTGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)5-4-6-16(22)18-10-14-7-8-21(12-14)15-9-17(23)20(3)19-11-15/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,22).
What are the key properties of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide has a molecular weight of 320.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide is sourced from PubChem (CID 70729547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).